N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride

C19H26ClN3O4S — CID 119466092

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-3-17(26-18-10-5-4-7-14(18)2)19(23)22-15-8-6-9-16(13-15)27(24,25)21-12-11-20;/h4-10,13,17,21H,3,11-12,20H2,1-2H3,(H,22,23);1H
InChIKeyXZQNGSGMCGIXAA-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.45
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride (PubChem CID 119466092) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
PubChem CID119466092
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-3-17(26-18-10-5-4-7-14(18)2)19(23)22-15-8-6-9-16(13-15)27(24,25)21-12-11-20;/h4-10,13,17,21H,3,11-12,20H2,1-2H3,(H,22,23);1H
InChIKeyXZQNGSGMCGIXAA-UHFFFAOYSA-N
XLogP2.45
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
CID 119465694
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride (CID 119466092) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride is CCC(Oc1ccccc1C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
The InChIKey is XZQNGSGMCGIXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-3-17(26-18-10-5-4-7-14(18)2)19(23)22-15-8-6-9-16(13-15)27(24,25)21-12-11-20;/h4-10,13,17,21H,3,11-12,20H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119466092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).